TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 702.884 | Formula: C42H50N6O4
H donors: 2 H acceptors: 4 LogP: 9.22 Rotable bonds: 18
Rule of 5 violations (Lipinski): 2
SMILES: N=c1n(CCCCCCCCCCCCn2c(=N)n(c3c2cccc3)Cc2ccccc2)c2c(n1Cc1ccccc1)cccc2.OC(=O)C(=O)O
InChi: 1S/C40H48N6.C2H2O4/c41-39-43(35-25-15-17-27-37(35)45(39)31-33-21-11-9-12-22-33)29-19-7-5-3-1-2-4-6-8-20-30-44-36-26-16-18-28-38(36)46(40(44)42)32-34-23-13-10-14-24-34;3-1(4)2(5)6/h9-18,21-28,41-42H,1-8,19-20,29-32H2;(H,3,4)(H,5,6)
InChiKey: FAWQKGIIMOYEIG-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0577283	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0415409	0.697879	0.697879
Echinococcus granulosus	beta tubulin	0.0577283	1	1
Leishmania major	beta tubulin	0.0577283	1	1
Trypanosoma brucei	beta tubulin	0.0577283	1	1
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Echinococcus multilocularis	heat shock protein 90	0.00544033	0.0241002	0.0241002
Echinococcus granulosus	tubulin alpha chain	0.0415409	0.697879	0.697879
Echinococcus granulosus	tubulin epsilon chain	0.0303942	0.489838	0.489838
Loa Loa (eye worm)	tubulin beta-4 chain	0.0577283	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0415409	0.697879	0.690418
Loa Loa (eye worm)	hypothetical protein	0.0243435	0.376908	0.36152
Trypanosoma cruzi	heat shock protein 85, putative	0.00544033	0.0241002	0.0241002
Echinococcus granulosus	tubulin alpha 1C chain	0.0415409	0.697879	0.697879
Echinococcus granulosus	tubulin subunit TubB	0.0415409	0.697879	0.697879
Toxoplasma gondii	beta-1 tubulin, putative	0.0577283	1	1
Leishmania major	beta tubulin	0.0577283	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0415409	0.697879	0.697879
Schistosoma mansoni	tubulin subunit alpha	0.0415409	0.697879	0.690418
Trypanosoma brucei	beta tubulin	0.0303942	0.489838	0.477239
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0303942	0.489838	0.477239
Trypanosoma cruzi	tubulin delta chain	0.0131968	0.168867	0.168867
Schistosoma mansoni	tubulin subunit beta	0.0131968	0.168867	0.148341
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0131968	0.168867	0.168867
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Loa Loa (eye worm)	beta-tubulin	0.0577283	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0577283	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0415409	0.697879	0.697879
Trichomonas vaginalis	conserved hypothetical protein	0.0131968	0.168867	0.168867
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin gamma chain, putative	0.0577283	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0303942	0.489838	0.489838
Echinococcus granulosus	tubulin alpha 1C chain	0.0415409	0.697879	0.697879
Giardia lamblia	Epsilon tubulin	0.0131968	0.168867	0.168867
Loa Loa (eye worm)	hypothetical protein	0.0283441	0.451575	0.438031
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Loa Loa (eye worm)	tubulin alpha 2	0.0111467	0.130603	0.109133
Trypanosoma brucei	alpha tubulin	0.0415409	0.697879	0.690418
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0243435	0.376908	0.376908
Trichomonas vaginalis	tubulin beta chain, putative	0.0171974	0.243534	0.243534
Echinococcus granulosus	tubulin beta 4A class IVa	0.0577283	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0415409	0.697879	0.697879
Schistosoma mansoni	tubulin subunit alpha	0.0131968	0.168867	0.148341
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Echinococcus granulosus	Tubulin beta 2C chain	0.0577283	1	1
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Trypanosoma cruzi	zeta tubulin, putative	0.0131968	0.168867	0.168867
Schistosoma mansoni	tubulin subunit beta	0.0577283	1	1
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Echinococcus multilocularis	Tubulin beta 2C chain	0.0577283	1	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0243435	0.376908	0.36152
Echinococcus granulosus	Tubulin alpha 1 chain	0.0415409	0.697879	0.697879
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Echinococcus multilocularis	tubulin alpha chain	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin beta chain, putative	0.0577283	1	1
Schistosoma mansoni	tubulin subunit epsilon	0.0303942	0.489838	0.477239
Leishmania major	zeta tubulin, putative	0.0131968	0.168867	0.168867
Trypanosoma brucei	epsilon tubulin	0.0303942	0.489838	0.477239
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0577283	1	1
Trypanosoma cruzi	tubulin delta chain	0.0131968	0.168867	0.168867
Plasmodium falciparum	tubulin epsilon chain, putative	0.0303942	0.489838	0.477239
Trypanosoma cruzi	zeta tubulin, putative	0.0131968	0.168867	0.168867
Trichomonas vaginalis	tubulin, putative	0.0171974	0.243534	0.243534
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0415409	0.697879	0.690418
Plasmodium falciparum	alpha tubulin 2	0.0415409	0.697879	0.690418
Schistosoma mansoni	tubulin subunit beta	0.0577283	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0303942	0.489838	0.477239
Echinococcus granulosus	Tubulin beta 2C chain	0.0577283	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0415409	0.697879	0.697879
Echinococcus multilocularis	tubulin epsilon chain	0.0303942	0.489838	0.489838
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0131968	0.168867	0.148341
Echinococcus multilocularis	tubulin beta 1 chain	0.0577283	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0577283	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0131968	0.168867	0.148341
Echinococcus granulosus	alpha tubulin	0.0415409	0.697879	0.697879
Plasmodium vivax	tubulin gamma chain, putative	0.0303942	0.489838	0.477239
Toxoplasma gondii	beta tubulin	0.0577283	1	1
Schistosoma mansoni	alpha tubulin	0.0415409	0.697879	0.690418
Leishmania major	beta tubulin	0.0577283	1	1
Leishmania major	epsilon tubulin, putative	0.0303942	0.489838	0.489838
Leishmania major	beta tubulin	0.0577283	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0303942	0.489838	0.477239
Leishmania major	beta tubulin	0.0577283	1	1
Giardia lamblia	Beta tubulin	0.0577283	1	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.00544033	0.0241002	0.0241002
Loa Loa (eye worm)	hypothetical protein	0.0415409	0.697879	0.690418
Schistosoma mansoni	tubulin subunit beta	0.0577283	1	1
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Echinococcus granulosus	tubulin delta chain	0.0131968	0.168867	0.168867
Leishmania major	beta tubulin	0.0577283	1	1
Brugia malayi	Cell division protein ftsZ	0.0131968	0.168867	0.148341
Brugia malayi	alpha-tubulin	0.0415409	0.697879	0.690418
Echinococcus granulosus	tubulin alpha chain	0.0415409	0.697879	0.697879
Brugia malayi	Tubulin beta-1 chain	0.0577283	1	1
Leishmania major	beta tubulin	0.0577283	1	1
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Schistosoma mansoni	tubulin subunit alpha	0.0415409	0.697879	0.690418
Echinococcus granulosus	tubulin alpha 3 chain	0.0415409	0.697879	0.697879
Echinococcus multilocularis	peroxisome assembly protein 26	0.0415409	0.697879	0.697879
Trypanosoma cruzi	heat shock protein 90, putative	0.00544033	0.0241002	0.0241002
Entamoeba histolytica	tubulin gamma chain	0.0303942	0.489838	0.477239
Trypanosoma brucei	epsilon tubulin	0.0303942	0.489838	0.477239
Echinococcus multilocularis	tubulin alpha 3 chain	0.0415409	0.697879	0.697879
Leishmania major	beta tubulin	0.0577283	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0415409	0.697879	0.690418
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Trypanosoma brucei	beta tubulin	0.0577283	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin alpha chain, putative	0.0577283	1	1
Trichomonas vaginalis	tubulin, putative	0.0171974	0.243534	0.243534
Leishmania major	beta tubulin	0.0577283	1	1
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0131968	0.168867	1
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Trypanosoma cruzi	heat shock protein 85, putative	0.00544033	0.0241002	0.0241002
Echinococcus multilocularis	heat shock protein	0.00544033	0.0241002	0.0241002
Trypanosoma brucei	alpha tubulin	0.0415409	0.697879	0.690418
Echinococcus granulosus	beta tubulin	0.0577283	1	1
Trypanosoma brucei	zeta tubulin	0.0131968	0.168867	0.148341
Echinococcus granulosus	Tubulin beta 2C chain	0.0577283	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0415409	0.697879	0.697879
Plasmodium vivax	delta tubulin, putative	0.0131968	0.168867	0.148341
Leishmania major	beta tubulin	0.0577283	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0415409	0.697879	0.697879
Schistosoma mansoni	tubulin subunit delta	0.0131968	0.168867	0.148341
Schistosoma mansoni	alpha tubulin	0.0415409	0.697879	0.690418
Plasmodium falciparum	tubulin gamma chain	0.0303942	0.489838	0.477239
Schistosoma mansoni	tubulin subunit beta	0.0577283	1	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0303942	0.489838	0.489838
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Leishmania major	beta tubulin	0.0577283	1	1
Leishmania major	beta tubulin	0.0577283	1	1
Giardia lamblia	Alpha-tubulin	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0283441	0.451575	0.451575
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Echinococcus multilocularis	tubulin gamma 1 chain	0.0303942	0.489838	0.489838
Loa Loa (eye worm)	tubulin beta chain	0.0577283	1	1
Trypanosoma brucei	tubulin delta chain	0.0131968	0.168867	0.148341
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Brugia malayi	Tubulin alpha chain	0.0131968	0.168867	0.148341
Trypanosoma cruzi	tubulin gamma chain	0.0303942	0.489838	0.489838
Echinococcus multilocularis	tubulin subunit beta	0.0577283	1	1
Plasmodium falciparum	tubulin delta chain, putative	0.0131968	0.168867	0.148341
Giardia lamblia	Beta tubulin	0.0577283	1	1
Leishmania major	beta tubulin	0.0577283	1	1
Echinococcus granulosus	tubulin alpha	0.0303942	0.489838	0.489838
Schistosoma mansoni	tubulin subunit alpha	0.0415409	0.697879	0.690418
Trichomonas vaginalis	tubulin, putative	0.0131968	0.168867	0.168867
Echinococcus granulosus	peroxisome assembly protein 26	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin beta chain, putative	0.0415409	0.697879	0.697879
Plasmodium vivax	tubulin alpha chain, putative	0.0415409	0.697879	0.690418
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Trichomonas vaginalis	tubulin alpha chain, putative	0.0303942	0.489838	0.489838
Mycobacterium leprae	cell division protein FtsZ	0.0131968	0.168867	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0415409	0.697879	0.697879
Echinococcus granulosus	tubulin beta 1 chain	0.0577283	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0415409	0.697879	0.690418
Brugia malayi	Tubulin beta chain	0.0171974	0.243534	0.224852
Echinococcus granulosus	heat shock protein 90	0.00544033	0.0241002	0.0241002
Leishmania major	beta tubulin	0.0577283	1	1
Echinococcus multilocularis	tubulin alpha	0.0303942	0.489838	0.489838
Giardia lamblia	Alpha-tubulin	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin gamma chain, putative	0.0303942	0.489838	0.489838
Onchocerca volvulus		0.0171974	0.243534	0.5
Brugia malayi	Tubulin beta chain	0.0131968	0.168867	0.148341
Trichomonas vaginalis	conserved hypothetical protein	0.0131968	0.168867	0.168867
Echinococcus granulosus	tubulin alpha 3 chain	0.0415409	0.697879	0.697879
Trypanosoma brucei	beta tubulin	0.0577283	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0577283	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0577283	1	1
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Echinococcus granulosus	tubulin alpha chain	0.0415409	0.697879	0.697879
Echinococcus granulosus	tubulin subunit beta	0.0577283	1	1
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Plasmodium falciparum	tubulin beta chain	0.0577283	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0415409	0.697879	0.690418
Echinococcus multilocularis	tubulin alpha chain	0.0415409	0.697879	0.697879
Trypanosoma brucei	tubulin gamma chain	0.0303942	0.489838	0.477239
Trypanosoma brucei	alpha tubulin	0.0415409	0.697879	0.690418
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0171974	0.243534	0.243534
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0415409	0.697879	0.697879
Loa Loa (eye worm)	tubulin beta-2A chain	0.0577283	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0415409	0.697879	0.697879
Toxoplasma gondii	beta-tubulin, putative	0.0577283	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0415409	0.697879	0.697879
Loa Loa (eye worm)	alpha-tubulin	0.0415409	0.697879	0.690418
Trypanosoma cruzi	Heat shock protein 83, putative	0.00544033	0.0241002	0.0241002
Trypanosoma cruzi	beta tubulin, putative	0.0577283	1	1
Giardia lamblia	Gamma tubulin	0.0303942	0.489838	0.489838
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Treponema pallidum	cell division protein FtsZ	0.0131968	0.168867	1
Echinococcus multilocularis	tubulin delta chain	0.0131968	0.168867	0.168867
Brugia malayi	Tubulin alpha-2 chain	0.0415409	0.697879	0.690418
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0131968	0.168867	0.168867
Echinococcus multilocularis	hypothetical protein	0.0415409	0.697879	0.697879
Toxoplasma gondii	alpha-tubulin I, putative	0.0415409	0.697879	0.690418
Leishmania major	delta tubulin, putative	0.0131968	0.168867	0.168867
Mycobacterium ulcerans	cell division protein FtsZ	0.0131968	0.168867	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0171974	0.243534	0.243534
Leishmania major	beta tubulin	0.0577283	1	1
Trypanosoma brucei	alpha tubulin, putative	0.0171974	0.243534	0.224852
Entamoeba histolytica	tubulin family protein	0.0577283	1	1
Trypanosoma brucei	alpha tubulin	0.0415409	0.697879	0.690418
Trichomonas vaginalis	tubulin, putative	0.0577283	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0577283	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0283441	0.451575	0.438031
Schistosoma mansoni	alpha tubulin	0.0415409	0.697879	0.690418
Brugia malayi	Tubulin alpha chain	0.0415409	0.697879	0.690418
Echinococcus multilocularis	Tubulin beta 2C chain	0.0577283	1	1
Schistosoma mansoni	tubulin subunit beta	0.0577283	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0171974	0.243534	0.243534
Plasmodium vivax	tubulin beta chain, putative	0.0577283	1	1
Leishmania major	gamma-tubulin	0.0303942	0.489838	0.489838
Leishmania major	beta tubulin	0.0577283	1	1
Echinococcus multilocularis	beta tubulin	0.0577283	1	1
Plasmodium falciparum	alpha tubulin 1	0.0415409	0.697879	0.690418
Trypanosoma cruzi	epsilon tubulin, putative	0.0303942	0.489838	0.489838
Loa Loa (eye worm)	tubulin alpha 2	0.0283441	0.451575	0.438031
Plasmodium vivax	tubulin alpha chain, putative	0.0415409	0.697879	0.690418
Giardia lamblia	Delta tubulin	0.0131968	0.168867	0.168867
Echinococcus granulosus	Tubulin beta 2C chain	0.0577283	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0415409	0.697879	0.697879
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin alpha chain, putative	0.0171974	0.243534	0.243534
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Echinococcus granulosus	heat shock protein	0.00544033	0.0241002	0.0241002
Leishmania major	beta tubulin	0.0577283	1	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0415409	0.697879	0.690418
Echinococcus multilocularis	beta tubulin	0.0577283	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0415409	0.697879	0.697879
Loa Loa (eye worm)	tubulin alpha chain	0.0415409	0.697879	0.690418
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0415409	0.697879	0.697879
Giardia lamblia	Beta tubulin	0.0577283	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0577283	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0415409	0.697879	0.690418
Brugia malayi	tubulin alpha chain - mouse	0.0415409	0.697879	0.690418
Echinococcus granulosus	tubulin alpha chain	0.0415409	0.697879	0.697879
Trichomonas vaginalis	tubulin gamma chain, putative	0.0303942	0.489838	0.489838
Trypanosoma cruzi	heat shock protein 85, putative	0.00544033	0.0241002	0.0241002
Schistosoma mansoni	tubulin subunit gamma	0.0303942	0.489838	0.477239
Trypanosoma brucei	beta tubulin	0.0577283	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0415409	0.697879	0.697879
Loa Loa (eye worm)	tubulin beta chain	0.0131968	0.168867	0.148341
Trypanosoma brucei	zeta tubulin, putative	0.0131968	0.168867	0.148341
Trichomonas vaginalis	tubulin gamma chain, putative	0.0131968	0.168867	0.168867
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0131968	0.168867	1
Echinococcus granulosus	tubulin alpha chain	0.0415409	0.697879	0.697879
Brugia malayi	Tubulin gamma chain	0.0303942	0.489838	0.477239
Trichomonas vaginalis	tubulin beta chain, putative	0.0415409	0.697879	0.697879
Leishmania major	beta tubulin	0.0577283	1	1
Brugia malayi	beta-tubulin, identical	0.0577283	1	1
Schistosoma mansoni	tubulin subunit beta	0.0577283	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0577283	1	1
Brugia malayi	tubulin alpha-2 chain	0.0415409	0.697879	0.690418
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Trichomonas vaginalis	heat shock protein, putative	0.00544033	0.0241002	0.0241002
Entamoeba histolytica	tubulin family protein	0.0577283	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0577283	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0415409	0.697879	0.697879
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879
Echinococcus granulosus	Tubulin alpha 1 chain	0.0415409	0.697879	0.697879
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0283441	0.451575	0.438031
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0415409	0.697879	0.697879
Trypanosoma brucei	epsilon tubulin	0.0303942	0.489838	0.477239
Leishmania major	heat shock protein 83-1	0.00544033	0.0241002	0.0241002
Leishmania major	alpha tubulin	0.0415409	0.697879	0.697879

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 450 nM	Antimalarial activity against Plasmodium falciparum Nigerian in human erythrocytes after 48 hrs	ChEMBL.	18004799
IC50 (functional)	= 450 nM	Antimalarial activity against Plasmodium falciparum Nigerian in human erythrocytes after 48 hrs	ChEMBL.	18004799
pKa	= 9.4	Dissociation constant, pKa of the compound by potentiometric titration	ChEMBL.	18004799

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18004799

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL235737

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 449371